Compound Detail
CHEMBL151967
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CCOC(=O)CS(=O)(=O)N(Cc1cccc(-c2cccc(C(=N)N)c2)c1)c1ccc(OC2CCN(C(C)=N)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL151967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJQWCBQYZMZVED-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
591.7
MW (Da)
4.38
ALogP
7
HBA
3
HBD
149.9
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Trypsin II CHEMBL4290 | IC50 | 6.54 | 6.54 | 292.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 7.0 | nM | 8.15 | Inhibitory concentration to factor Xa | 12565972 |
| Trypsin II | IC50 | = | 292.0 | nM | 6.54 | Inhibitory concentration against trypsin | 12565972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565972 | 10.1016/s0960-894x(02)00927-7 | Coagulation factor X | 1 |
| 12565972 | 10.1016/s0960-894x(02)00927-7 | Trypsin II | 1 |
| 12565972 | 10.1016/s0960-894x(02)00927-7 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine